Cas no 509101-16-0 (6-(but-2-yn-1-yloxy)nicotinic acid)

6-(but-2-yn-1-yloxy)nicotinic acid structure
509101-16-0 structure
Product Name:6-(but-2-yn-1-yloxy)nicotinic acid
CAS No:509101-16-0
MF:C10H9NO3
MW:191.183362722397
CID:2145363
PubChem ID:23020169
Update Time:2025-04-21

6-(but-2-yn-1-yloxy)nicotinic acid Chemical and Physical Properties

Names and Identifiers

    • 6-(but-2-yn-1-yloxy)nicotinic acid
    • PHGYJFHIKMQOLR-UHFFFAOYSA-N
    • 6-(But-2-ynyloxy)nicotinic acid
    • 6-but-2-ynoxypyridine-3-carboxylic acid
    • 6-(2-butynyloxy)nicotinic acid
    • SCHEMBL839973
    • 509101-16-0
    • DB-341602
    • Inchi： 1S/C10H9NO3/c1-2-3-6-14-9-5-4-8(7-11-9)10(12)13/h4-5,7H,6H2,1H3,(H,12,13)
    • InChI Key： PHGYJFHIKMQOLR-UHFFFAOYSA-N
    • SMILES： O(CC#CC)C1C=CC(C(=O)O)=CN=1

Computed Properties

  • Exact Mass: 191.058243149Da
  • Monoisotopic Mass: 191.058243149Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 263
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.3
  • Topological Polar Surface Area: 59.4?2

6-(but-2-yn-1-yloxy)nicotinic acid Related Literature

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